Zinc in PDB 5m5q: COPS5(2-257) in Complex with A Azaindole (Compound 4)

The structure of COPS5(2-257) in Complex with A Azaindole (Compound 4), PDB code: 5m5q was solved by M.Renatus, E.Altmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.73 / 2.20
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	102.365, 102.365, 69.048, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 21.9

The binding sites of Zinc atom in the COPS5(2-257) in Complex with A Azaindole (Compound 4) (pdb code 5m5q). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the COPS5(2-257) in Complex with A Azaindole (Compound 4), PDB code: 5m5q:

Zinc binding site 1 out of 1 in the COPS5(2-257) in Complex with A Azaindole (Compound 4)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of COPS5(2-257) in Complex with A Azaindole (Compound 4) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:51.2 occ:1.00 NE2 A:HIS140 1.9 49.0 1.0 OD2 A:ASP151 2.0 55.4 1.0 NE2 A:HIS138 2.1 51.7 1.0 N4 A:7K1302 2.1 51.5 1.0 CG A:ASP151 2.8 48.6 1.0 OD1 A:ASP151 2.9 51.9 1.0 CD2 A:HIS140 2.9 48.9 1.0 CE1 A:HIS140 3.0 48.6 1.0 C3 A:7K1302 3.0 52.2 1.0 C6 A:7K1302 3.1 51.4 1.0 CE1 A:HIS138 3.1 51.1 1.0 CD2 A:HIS138 3.1 51.6 1.0 N7 A:7K1302 3.4 51.6 1.0 OG A:SER148 3.7 61.3 1.0 CG A:HIS140 4.0 48.1 1.0 ND1 A:HIS140 4.1 48.8 1.0 CG A:HIS138 4.2 49.7 1.0 ND1 A:HIS138 4.2 51.6 1.0 CB A:SER148 4.2 57.6 1.0 CB A:ASP151 4.2 53.0 1.0 C2 A:7K1302 4.3 51.4 1.0 C5 A:7K1302 4.4 52.2 1.0 N A:SER148 4.4 53.0 1.0 O A:TRP146 4.6 49.3 1.0 C11 A:7K1302 4.7 50.9 1.0 C10 A:7K1302 4.9 52.5 1.0 CA A:SER148 5.0 54.2 1.0

E.Altmann, P.Erbel, M.Renatus, M.Schaefer, A.Schlierf, A.Druet, L.Kieffer, M.Sorge, K.Pfister, U.Hassiepen, M.Jones, S.Ruedisser, D.Ostermeier, B.Martoglio, A.B.Jefferson, J.Quancard. Azaindoles As Zinc-Binding Small-Molecule Inhibitors of the Jamm Protease CSN5. Angew. Chem. Int. Ed. Engl. V. 56 1294 2017.
ISSN: ESSN 1521-3773
PubMed: 27981705
DOI: 10.1002/ANIE.201608672